N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide

C13H18FN3O2 — CID 47134375

IUPACN-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUNRLPOVGRSRJRX-UHFFFAOYSA-N
MW267.30 g/mol
LogP1.15
Rot. Bonds5

About N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide

N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide (PubChem CID 47134375) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
PubChem CID47134375
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide
SMILESCCNC(=O)C(C)NC(=O)NCc1ccccc1F
InChIInChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19)
InChIKeyUNRLPOVGRSRJRX-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanamide
CID 42928317
(2R)-N-ethyl-2-[(4-fluorophenyl)methylcarbamoylamino]propanamide
CID 38214366
1-[(2-fluorophenyl)methyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 51274243
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]-3-phenylpropanoic acid
CID 947568
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
(2S)-2-[(2-fluorophenyl)methylcarbamoylamino]pentanedioic acid
CID 61189681
(2S)-N-ethyl-2-[[(1R)-1-phenylethyl]carbamoylamino]propanamide
CID 36515448
2-[2-(2-fluorophenyl)ethylcarbamoylamino]propanoic acid
CID 3657012
(2R)-2-[(2-fluorophenyl)carbamoylamino]-N-propylpropanamide
CID 94185477
N-[(2-fluorophenyl)methyl]carbamoyl bromide
CID 115193660
3-[(2-fluorophenyl)methylamino]-2-methyl-3-oxopropanoic acid
CID 114897168
2-[[2-(2-aminophenyl)acetyl]amino]-N-ethylpropanamide
CID 43574376

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide?
The IUPAC name of N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide (CID 47134375) is N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide is CCNC(=O)C(C)NC(=O)NCc1ccccc1F.
What is the InChIKey of N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide?
The InChIKey is UNRLPOVGRSRJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-3-15-12(18)9(2)17-13(19)16-8-10-6-4-5-7-11(10)14/h4-7,9H,3,8H2,1-2H3,(H,15,18)(H2,16,17,19).
What are the key properties of N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide?
N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide has a molecular weight of 267.30 g/mol, XLogP of 1.15, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(2-fluorophenyl)methylcarbamoylamino]propanamide is sourced from PubChem (CID 47134375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).